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BDBM50329297 (R)-3-tert-Butoxycarbonylamino-pyrrolidine-1-carboxylic acid 5-hydroxy-adamantan-2-yl ester::CHEMBL1270604

SMILES: CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](O)(C3)C2

InChI Key: InChIKey=LFLUHUHUEAGKGT-VVJYSLPSSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50329297   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50329297
PNG
((R)-3-tert-Butoxycarbonylamino-pyrrolidine-1-carbo...)
Show SMILES CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:8.7,16.16,wD:23.25,TLB:16:17:25:20.21.22,15:16:25.19.20:22,THB:18:19:22:26.17.16,18:17:25.19.20:22,16:21:25:26.18.17,(6.15,-33.79,;4.61,-33.76,;3.86,-32.41,;5.37,-32.42,;3.82,-35.08,;2.28,-35.06,;1.53,-33.71,;1.49,-36.38,;-.05,-36.35,;-.93,-35.09,;-2.41,-35.54,;-2.43,-37.09,;-.98,-37.58,;-3.78,-37.85,;-3.79,-39.39,;-5.1,-37.07,;-6.44,-37.82,;-6.45,-39.35,;-7.47,-40.63,;-8.87,-40.06,;-8.88,-38.48,;-7.84,-37.24,;-9.18,-37.72,;-9.18,-39.21,;-10.52,-38.43,;-10.37,-40.48,;-7.85,-39.7,)|
Show InChI InChI=1S/C20H32N2O5/c1-19(2,3)27-17(23)21-15-4-5-22(11-15)18(24)26-16-13-6-12-7-14(16)10-20(25,8-12)9-13/h12-16,25H,4-11H2,1-3H3,(H,21,23)/t12?,13?,14?,15-,16-,20-/m1/s1
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PC cid
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Article
PubMed
n/an/a 15.7n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11betaHSD1 in human platelet assessed as [3H]-cortisone to [3H]-cortisol by microscintillation plate reader


Bioorg Med Chem Lett 20: 6725-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.142
BindingDB Entry DOI: 10.7270/Q2X92BJ5
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50329297
PNG
((R)-3-tert-Butoxycarbonylamino-pyrrolidine-1-carbo...)
Show SMILES CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:8.7,16.16,wD:23.25,TLB:16:17:25:20.21.22,15:16:25.19.20:22,THB:18:19:22:26.17.16,18:17:25.19.20:22,16:21:25:26.18.17,(6.15,-33.79,;4.61,-33.76,;3.86,-32.41,;5.37,-32.42,;3.82,-35.08,;2.28,-35.06,;1.53,-33.71,;1.49,-36.38,;-.05,-36.35,;-.93,-35.09,;-2.41,-35.54,;-2.43,-37.09,;-.98,-37.58,;-3.78,-37.85,;-3.79,-39.39,;-5.1,-37.07,;-6.44,-37.82,;-6.45,-39.35,;-7.47,-40.63,;-8.87,-40.06,;-8.88,-38.48,;-7.84,-37.24,;-9.18,-37.72,;-9.18,-39.21,;-10.52,-38.43,;-10.37,-40.48,;-7.85,-39.7,)|
Show InChI InChI=1S/C20H32N2O5/c1-19(2,3)27-17(23)21-15-4-5-22(11-15)18(24)26-16-13-6-12-7-14(16)10-20(25,8-12)9-13/h12-16,25H,4-11H2,1-3H3,(H,21,23)/t12?,13?,14?,15-,16-,20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant 11betaHSD1 expressed in CHO cells assessed as [3H]-cortisone to [3H]-cortisol by microscintillation plate reader


Bioorg Med Chem Lett 20: 6725-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.142
BindingDB Entry DOI: 10.7270/Q2X92BJ5
More data for this
Ligand-Target Pair